2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide

C10H23N5O — CID 21291317

IUPAC2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
SMILESCCCCNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C10H23N5O/c1-2-3-6-14-9(16)8(11)5-4-7-15-10(12)13/h8H,2-7,11H2,1H3,(H,14,16)(H4,12,13,15)
InChIKeyUUSWLEQEVZCHKL-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.72
Rot. Bonds8

About 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide

2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide (PubChem CID 21291317) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
PubChem CID21291317
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC Name2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
SMILESCCCCNC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C10H23N5O/c1-2-3-6-14-9(16)8(11)5-4-7-15-10(12)13/h8H,2-7,11H2,1H3,(H,14,16)(H4,12,13,15)
InChIKeyUUSWLEQEVZCHKL-UHFFFAOYSA-N
XLogP-0.72
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide (CID 21291317) is 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide is CCCCNC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
The InChIKey is UUSWLEQEVZCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O/c1-2-3-6-14-9(16)8(11)5-4-7-15-10(12)13/h8H,2-7,11H2,1H3,(H,14,16)(H4,12,13,15).
What are the key properties of 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide?
2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide has a molecular weight of 229.33 g/mol, XLogP of -0.72, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 21291317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).